SCHEMBL24312834

SCHEMBL24312834

Bc1ccc(N2CC(C(=O)OC)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 7/20 0.40
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TMPRSS15 P98073 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
BRD4 O60885 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30473867 0.83 ACACB (0.51) KDM4EGPR119KMT2AMEN1SMN1; SMN2
SCHEMBL20474651 0.83 ACACB (0.51) KDM4EGPR119KMT2AMEN1SMN1; SMN2
SCHEMBL17656733 0.77 PDE10A (0.46) ACACBHRH3
SCHEMBL20364268 0.77 HSD17B10 (0.51) KDM4E
SCHEMBL24307477 0.74 HRH3 (0.53) GPR119KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL596004 0.73 KDM4E (0.51) KDM4EGPR119KMT2AMEN1SMN1; SMN2
SCHEMBL4881099 0.73 KDM4E (0.51) KDM4EGPR119KMT2AMEN1SMN1; SMN2
SCHEMBL16695108 0.73 SMN1; SMN2 (0.56) KDM4EGPR119KMT2AMEN1SMN1; SMN2
SCHEMBL24844799 0.72 CYP11B1 (0.47) NPC1
SCHEMBL23246956 0.72 SMN1; SMN2 (0.40) KDM4EGPR119KMT2AMEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed